UCSF

ZINC39240869

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 11 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 7.41 -35.8 1 1 1 4 174.333 4
Hi High (pH 8-9.5) 2.67 5.31 -1.74 0 1 0 3 173.325 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0450066A1; EP0450066B1; US5227381; US5401740 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )